Introduction to computational physical chemistry (Record no. 1428795)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 02145cam a2200277 i 4500 |
| 001 - CONTROL NUMBER | |
| control field | 19535821 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20250519100742.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 170303t20172017caua b 001 0 eng |
| 010 ## - LIBRARY OF CONGRESS CONTROL NUMBER | |
| LC control number | 2017010486 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9781938787904 |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | CSL |
| Language of cataloging | eng |
| Transcribing agency | CSL |
| Modifying agency | DLC |
| 041 ## - LANGUAGE CODE | |
| Source of code | eng |
| Language code of text/sound track or separate title | eng |
| 084 ## - COLON CLASSIFICATION NUMBER | |
| Classification number | E:2 Q7 Carc |
| Assigning agency | CSL |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Schrier, Joshua, |
| Relator term | author. |
| 9 (RLIN) | 808840 |
| 245 10 - TITLE STATEMENT | |
| Title | Introduction to computational physical chemistry |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Place of publication, distribution, etc. | California: |
| Name of publisher, distributor, etc. | University Science Books, |
| Date of publication, distribution, etc. | 2017. |
| 264 #4 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Date of production, publication, distribution, manufacture, or copyright notice | ©2017 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | xxvii, 474p : |
| Other physical details | ill ; |
| Dimensions | 27 cm |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc. note | Includes bibliographical references and indexes. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | This book will revolutionize the way physical chemistry is taught by bridging the gap between the traditional “solve a bunch of equations for a very simple model” approach and the computational methods that are used to solve research problems. While some recent textbooks include exercises using pre-packaged Hartree-Fock/DFT calculations, this is largely limited to giving students a proverbial black box. The DIY (do-it-yourself) approach taken in this book helps student gain understanding by building their own simulations from scratch. The reader of this book should come away with the ability to apply and adapt these techniques in computational chemistry to his or her own research problems, and have an enhanced ability to critically evaluate other computational results. This book is mainly intended to be used in conjunction with an existing physical chemistry text, such as McQuarrie & Simon’s Physical Chemistry: A Molecular Approach, but it is also well suited as a stand-alone text for upper level undergraduate or intro graduate computational chemistry courses. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Chemistry |
| General subdivision | Mathematics |
| Form subdivision | Textbooks. |
| 9 (RLIN) | 808841 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Chemistry, Physical and theoretical |
| Form subdivision | Textbooks. |
| 9 (RLIN) | 808842 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Chemometrics |
| Form subdivision | Textbooks. |
| 9 (RLIN) | 808843 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Online version: |
| Main entry heading | Schrier, Joshua, 1979- |
| Title | Introduction to computational physical chemistry |
| Place, publisher, and date of publication | Mill Valley, California : University Science Books, [2017] |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | Colon Classification (CC) |
| Suppress in OPAC | No |
| Koha item type | Textual |
| Classification part | E:2 Q7 Carc |
| Withdrawn status | Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Home library | Current library | Date acquired | Source of acquisition | Total Checkouts | Full call number | Barcode | Date last seen | Price effective from | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Colon Classification (CC) | Central Science Library | Department of Chemistry Library | 2024-12-18 | Viva Books Private Limited | E:2 Q7 Carc | CD0009450 | 2025-05-19 | 2025-05-19 | Textual |